NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.6349 8.3649 119.5527 52.5772 42.4044 175.4846 11 K 4.0917 7.8862 117.2134 55.1519 32.9105 174.2025 12 P 4.6920 0.0000 0.0000 63.5244 33.4655 175.2608 13 V 5.0360 8.2691 121.1609 60.6791 35.0579 172.9983 14 A 5.0270 8.9944 123.4093 51.3562 23.1839 175.3815 15 H 4.3631 9.1196 120.4036 55.9264 31.8958 172.9947 16 V 4.5869 8.6063 120.0525 59.6084 34.3208 175.6310 17 V 5.4016 8.4199 115.9663 59.4610 35.0677 175.0784 18 A 4.4613 8.8167 125.0227 51.9109 19.3728 176.9992 19 N 4.4679 9.3293 120.5215 52.3768 39.5521 174.2000 20 P 2.9700 0.0000 0.0000 63.2806 31.4634 176.8713 21 Q 4.3505 8.1090 116.4241 55.2192 29.4217 175.6411 22 A 4.1199 7.3544 121.5894 51.8253 17.9361 177.3967 23 E 4.3981 8.6197 120.1513 55.4608 30.4566 176.7086 24 G 3.9641 8.8591 113.4049 45.6970 0.0000 172.5530 25 Q 4.4451 7.3150 112.1952 54.3984 31.5064 173.5250 26 L 4.0873 8.2235 122.2318 53.9885 42.4561 175.4593 27 Q 4.5139 7.9410 127.1950 53.8932 31.9737 173.9169 28 W 5.1516 8.8427 127.1953 56.3135 29.9257 176.2732 29 L 4.5433 9.4985 126.5843 54.1231 42.3596 176.4232 30 N 4.5754 8.6962 121.1194 52.5815 38.1943 174.2145 *36 L 4.1388 8.1923 124.4809 55.9962 42.6499 175.6327 37 L 4.6859 8.2955 117.8026 54.2031 42.8879 174.6545 38 A 4.7096 8.8540 125.6251 49.1537 23.5853 175.0949 39 N 4.3186 10.0158 112.4306 55.0027 36.1657 175.7280 40 G 4.0631 8.4814 104.9307 45.1905 0.0000 175.1609 41 V 3.9677 7.4788 120.2565 62.9979 32.1230 175.1380 42 E 4.8029 8.7106 126.3466 54.4042 33.4104 174.5566 43 L 5.1120 8.4234 124.1710 53.4942 43.3904 175.8841 44 R 4.4414 8.9850 127.1238 55.8708 32.9914 174.2286 45 D 4.0203 9.5163 125.3810 55.6184 39.4380 172.8640 46 N 4.5554 8.6887 110.9230 54.1541 37.6286 172.8161 47 Q 5.0150 7.7625 113.2956 53.5778 33.3367 174.4524 48 L 4.6756 8.9555 123.0748 54.3217 43.3066 175.8869 49 V 4.7024 8.7054 123.4435 61.1193 34.2980 174.7114 50 V 4.1100 8.6673 122.3097 60.1362 32.2458 175.5115 51 P 4.6270 0.0000 0.0000 64.2186 32.0878 176.0365 52 S 4.6787 7.5232 111.8845 56.4010 65.9081 173.6353 53 E 4.2428 8.8976 122.8891 55.8665 30.0382 176.7510 54 G 4.1453 7.8316 112.9759 44.7437 0.0000 170.8296 55 L 4.9594 7.6371 119.5670 54.3111 43.0855 175.9988 56 Y 5.0983 9.6740 122.0935 55.9696 41.7567 174.8987 57 L 4.8414 9.1493 124.7661 54.7955 43.1794 176.0375 58 I 5.1890 9.2585 124.7134 59.8139 40.8169 174.1742 59 Y 5.6995 8.6812 123.2681 56.4498 41.8811 173.6131 60 S 5.3177 9.1515 113.6187 58.0368 67.0596 173.2784 61 Q 5.0620 8.9975 121.9284 54.7317 32.6447 173.7811 62 V 4.4551 8.4660 118.8949 59.3554 35.4508 174.3306 63 L 4.9520 7.9748 123.9535 53.0171 44.0344 175.3388 64 F 5.5432 9.5532 122.7869 55.7917 42.1436 174.6763 65 K 4.2479 9.1690 120.3503 55.7080 35.8048 175.1074 66 G 3.3465 6.3133 107.3721 45.0131 0.0000 171.6766 67 Q 4.5456 8.3324 119.0450 54.4976 30.3831 177.4639 68 G 3.9995 8.8966 115.0436 44.8135 0.0000 171.9146 69 C 5.0444 8.5174 115.2366 54.4017 42.9553 173.1177 70 P 4.5340 0.0000 0.0000 62.3877 33.1440 174.9597 71 S 4.3803 8.5342 110.4622 60.5995 63.0748 175.5611 72 T 4.0000 7.6794 114.6345 61.6514 67.6640 172.9547 73 H 4.3155 8.6551 128.8223 55.2911 29.9546 174.7543 74 V 3.6291 8.0324 127.7776 62.6170 31.3140 174.6743 75 L 4.6201 8.2075 127.5657 52.9209 43.6603 175.8463 76 L 4.5762 8.5977 124.6635 53.0306 43.7306 175.6335 77 T 5.1106 9.0457 114.5274 60.2281 72.2366 172.7872 78 H 5.5651 9.0930 122.8465 55.1772 33.6647 172.1320 79 T 5.0752 9.1964 115.1902 60.1622 72.6722 172.5094 80 I 4.7916 8.7023 124.9933 59.8605 39.5736 174.8671 81 S 5.1237 9.1378 122.7477 56.6340 66.6079 172.9556 82 R 4.7635 8.6483 123.4622 54.9554 32.0072 175.1158 83 I 4.3966 9.1053 128.9630 59.7592 38.3022 174.8196 84 A 4.9178 8.2646 129.7655 50.6505 18.4368 178.3520 85 V 3.5059 8.5029 122.0081 66.9654 31.9539 177.7729 86 S 4.3144 8.0798 116.2867 61.7716 63.1037 175.5537 *87 Y 4.0498 7.8250 117.1192 57.0636 36.9583 179.8954 88 Q 3.6989 7.8556 116.9493 57.4250 28.5051 172.4942 89 T 4.6155 7.3364 111.5008 61.2477 70.3514 173.0766 90 K 5.3573 8.5694 124.9632 54.0359 34.9302 175.4690 91 V 4.6250 8.2517 125.7898 59.5202 35.3743 174.4787 92 N 4.6584 8.7295 119.8722 54.0157 38.4165 174.9576 93 L 4.2417 8.8295 124.8281 56.9396 42.6790 177.5786 94 L 4.8778 7.5408 117.4407 53.2472 46.0178 175.2799 95 S 5.1828 8.6685 116.5200 57.1041 65.8454 172.4476 96 A 4.8374 8.9771 125.8899 50.9565 23.0854 175.0219 97 I 5.1379 8.1337 118.4748 59.6880 41.3068 175.1684 98 K 4.6379 9.1943 124.7064 54.6087 36.4808 175.6667 99 S 4.7196 8.2747 118.0142 55.6764 63.5563 172.7101 100 P 3.8753 0.0000 0.0000 64.5974 31.3651 177.5917 101 C 4.5599 6.6786 116.1948 54.0732 42.6655 171.9320 *113 P 4.0761 0.0000 0.0000 62.3973 31.2688 175.5306 114 W 4.9859 7.7922 120.8687 54.8987 31.1363 174.6676 115 Y 5.2940 8.6961 117.8174 56.6148 41.2868 174.5969 116 E 4.9299 9.8000 123.4505 54.2005 33.7011 173.2496 117 P 5.1520 0.0000 0.0000 61.8452 33.7922 175.1586 118 I 4.2942 8.2487 120.9215 59.8689 40.5983 174.1981 119 Y 5.4336 8.1496 124.1614 56.6057 40.5108 175.1387 120 L 4.9397 8.7648 120.7316 53.3981 46.6021 175.6803 121 G 4.8994 8.3761 105.8498 45.9340 0.0000 172.5319 122 G 4.2494 8.1272 109.1404 45.8887 0.0000 171.8006 123 V 4.9963 8.0223 119.4547 60.0720 33.2049 175.5652 124 F 4.8641 9.3200 121.9044 55.8149 43.7701 173.2878 125 Q 4.9656 8.9147 123.6058 55.3805 29.7849 174.6891 126 L 4.9906 9.4391 126.2666 53.0850 45.8769 175.5518 127 E 4.9264 8.9808 119.8063 53.9121 31.9529 175.9205 128 K 4.0437 8.4679 122.0789 58.3032 32.4433 177.3753 129 G 3.9593 9.1404 114.2277 45.3070 0.0000 173.4231 130 D 4.6659 7.8436 120.1527 54.7800 42.1428 175.7045 131 R 5.0088 9.1582 120.5581 54.3871 33.8004 174.7185 132 L 5.3159 9.2112 122.5492 52.9390 45.2711 175.6053 133 S 5.1516 8.9881 117.9350 56.3666 66.1341 172.8970 134 A 4.8702 8.3114 123.5783 50.3068 20.4971 175.2146 135 E 4.9707 9.4287 122.0006 54.8875 33.9275 175.1187 136 I 5.6192 8.5335 114.1691 58.4499 40.7099 174.3442 137 N 4.7095 8.9699 117.8867 53.2437 38.9519 175.7340 138 R 4.7010 7.7471 118.1958 53.1447 30.8562 173.5953 139 P 4.3689 0.0000 0.0000 65.3758 31.8709 179.3792 140 D 4.3571 8.0300 117.3533 55.7531 39.5697 176.4485 141 Y 4.5685 8.0593 116.5798 58.0579 38.5343 175.4796 142 L 3.9330 7.5959 120.6653 55.0085 42.0234 176.5321 143 D 4.5630 8.2360 122.9294 52.9451 41.0326 175.1685 144 F 4.7853 8.3783 123.7934 57.2027 39.3196 177.1166 145 A 4.0802 8.6303 128.9357 55.4237 18.1998 179.2210 146 E 4.6190 7.9563 111.8486 54.0880 30.9122 177.4930 147 S 4.3643 9.0970 120.0231 60.4199 63.6366 176.0229 148 G 4.1735 7.8586 110.5387 43.9809 0.0000 173.3684 149 Q 4.6910 7.8708 112.6189 54.9370 32.0575 175.6792 150 V 4.5271 7.8786 119.2825 61.4052 33.3881 173.8329 151 Y 5.6250 8.7674 125.5170 56.4868 42.1853 173.4915 152 F 5.1610 8.8216 121.4161 57.1756 43.1049 173.1505 153 G 3.8168 8.5252 112.2911 44.8405 0.0000 171.4465 154 I 5.2619 8.0562 112.5544 59.2352 41.7883 174.7874 155 I 4.8267 8.9397 123.8245 59.6667 40.9136 174.4814 156 A 3.6126 8.8061 132.9249 52.1269 18.8857 178.0122 *157 L 3.9927 8.5297 121.8538 54.4536 41.7256 174.4395 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 D 8.36 4.63 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.89 4.09 0.00 1.79 1.71 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.48 7.81 12 P 0.00 4.69 0.00 2.30 2.11 0.00 3.54 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 13 V 8.27 5.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 14 A 8.99 5.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.12 4.36 0.00 3.14 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.61 4.59 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.69 0.00 0.00 17 V 8.42 5.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.08 0.00 0.00 18 A 8.82 4.46 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.33 4.47 0.00 2.70 2.60 0.00 0.00 7.32 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 2.97 0.00 1.70 1.42 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 21 Q 8.11 4.35 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 22 A 7.35 4.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.62 4.40 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 24 G 8.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.31 4.45 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 26 L 8.22 4.09 0.00 1.42 1.43 0.26 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.94 4.51 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 28 W 8.84 5.15 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.50 4.54 0.00 1.69 1.67 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.70 4.58 0.00 2.76 2.89 0.00 0.00 6.09 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 L 8.19 4.14 0.00 1.78 1.94 0.92 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.30 4.69 0.00 1.60 1.56 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.85 4.71 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 10.02 4.32 0.00 2.87 3.04 0.00 0.00 7.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.48 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.48 3.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.07 0.00 0.00 42 E 8.71 4.80 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 43 L 8.42 5.11 0.00 1.62 1.59 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.98 4.44 0.00 1.85 1.72 0.00 3.36 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 45 D 9.52 4.02 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.69 4.56 0.00 2.95 3.00 0.00 0.00 7.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.76 5.01 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 48 L 8.96 4.68 0.00 1.33 1.33 -0.36 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.71 4.70 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 50 V 8.67 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.88 0.00 0.00 51 P 0.00 4.63 0.00 2.21 2.33 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 52 S 7.52 4.68 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.90 4.24 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 54 G 7.83 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.64 4.96 0.00 1.56 1.60 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.67 5.10 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.15 4.84 0.00 1.89 1.79 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.26 5.19 2.08 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.99 0.00 0.00 59 Y 8.68 5.70 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.15 5.32 0.00 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.00 5.06 0.00 2.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 62 V 8.47 4.46 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.56 0.00 0.00 63 L 7.97 4.95 0.00 1.41 1.50 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.55 5.54 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 9.17 4.25 0.00 1.26 1.72 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.88 1.29 7.81 66 G 6.31 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.33 4.55 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.01 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 68 G 8.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.52 5.04 0.00 2.94 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.53 0.00 2.22 2.17 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 71 S 8.53 4.38 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.68 4.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 73 H 8.66 4.32 0.00 3.06 3.19 0.00 5.98 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.03 3.63 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.93 0.00 0.00 75 L 8.21 4.62 0.00 1.45 1.44 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.60 4.58 0.00 1.03 0.36 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.05 5.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 78 H 9.09 5.57 0.00 3.36 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.20 5.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 80 I 8.70 4.79 1.76 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.55 0.90 0.00 0.00 81 S 9.14 5.12 0.00 3.65 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.65 4.76 0.00 1.74 1.71 0.00 3.04 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 83 I 9.11 4.40 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.42 0.91 0.00 0.00 84 A 8.26 4.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.50 3.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.07 0.00 0.00 86 S 8.08 4.31 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 7.83 4.05 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.86 3.70 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 89 T 7.34 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 K 8.57 5.36 0.00 1.73 1.61 0.00 1.59 0.00 0.00 1.16 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.34 7.81 91 V 8.25 4.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 92 N 8.73 4.66 0.00 2.63 2.79 0.00 0.00 6.97 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.83 4.24 0.00 1.22 0.72 0.28 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.54 4.88 0.00 1.53 1.56 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.67 5.18 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.98 4.84 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.13 5.14 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.83 0.00 0.00 98 K 9.19 4.64 0.00 1.47 1.47 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.30 7.81 99 S 8.27 4.72 0.00 3.69 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.88 0.00 0.49 0.90 0.00 3.40 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.44 0.00 101 C 6.68 4.56 0.00 2.60 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *113 P 0.00 4.08 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 114 W 7.79 4.99 0.00 3.36 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.70 5.29 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.80 4.93 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 117 P 0.00 5.15 0.00 1.45 2.03 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 118 I 8.25 4.29 1.98 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.97 0.00 0.00 119 Y 8.15 5.43 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.76 4.94 0.00 1.64 1.57 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.38 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.13 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.02 5.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.95 0.00 0.00 124 F 9.32 4.86 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.91 4.97 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 126 L 9.44 4.99 0.00 1.46 1.39 0.56 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.98 4.93 0.00 2.15 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 128 K 8.47 4.04 0.00 1.74 1.75 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.55 7.81 129 G 9.14 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.84 4.67 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 9.16 5.01 0.00 1.67 1.78 0.00 3.06 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 132 L 9.21 5.32 0.00 1.55 1.72 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.99 5.15 0.00 3.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.31 4.87 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.43 4.97 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 136 I 8.53 5.62 2.17 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.82 0.96 0.00 0.00 137 N 8.97 4.71 0.00 2.74 2.98 0.00 0.00 5.76 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.75 4.70 0.00 1.94 2.14 0.00 3.33 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 139 P 0.00 4.37 0.00 2.22 2.31 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 140 D 8.03 4.36 0.00 2.59 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.06 4.57 0.00 3.52 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.60 3.93 0.00 1.46 0.65 0.86 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.24 4.56 0.00 2.55 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.38 4.79 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.63 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.96 4.62 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.84 0.00 147 S 9.10 4.36 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.86 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.87 4.69 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 150 V 7.88 4.53 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.73 0.00 0.00 151 Y 8.77 5.63 0.00 2.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.82 5.16 0.00 1.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.53 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.06 5.26 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 0.65 0.00 0.00 155 I 8.94 4.83 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 0.93 0.00 0.00 156 A 8.81 3.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 L 8.53 3.99 0.00 1.29 1.44 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.